SCHEMBL29316587

SCHEMBL29316587

Clc1cccc(CNc2nc(Cl)nc3c2NCN3)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 2/20 0.54
HTR2C P28335 2/20 0.54
HTR2B P41595 2/20 0.54
PDE2A O00408 1/20 0.49
GRM4 Q14833 1/20 0.47
YTHDF3 Q7Z739 2/20 0.46
YTHDC1 Q96MU7 2/20 0.46
YTHDF1 Q9BYJ9 2/20 0.46
YTHDF2 Q9Y5A9 2/20 0.46
KMT2A Q03164 1/20 0.46
ADORA3 P0DMS8 4/20 0.45
ADORA2A P29274 3/20 0.45
ADORA1 P30542 2/20 0.45
HTR3A P46098 1/20 0.45
APP P05067 1/20 0.44
PPARD Q03181 5/20 0.44
PDE5A O76074 1/20 0.44
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20333337 0.87 APP (0.54) KMT2AAPPPDE5A
SCHEMBL19459471 0.73 TMIGD3 (0.68) TMIGD3HTR2CHTR2BPDE2AGRM4
SCHEMBL30141144 0.73 TMIGD3 (0.68) TMIGD3HTR2CHTR2BPDE2AGRM4
SCHEMBL11899898 0.72 APP (0.58) TMIGD3HTR2CHTR2BPDE2AKMT2A
SCHEMBL22866364 0.69 PDE2A (0.56) TMIGD3HTR2CHTR2BPDE2AGRM4
SCHEMBL18895144 0.68 BRD4 (0.61) TMIGD3HTR2CHTR2BPDE2AKMT2A
SCHEMBL20539622 0.68 APP (0.56) TMIGD3HTR2CHTR2BPDE2AKMT2A
SCHEMBL30208466 0.68 APP (0.56) TMIGD3HTR2CHTR2BPDE2AKMT2A
SCHEMBL6700054 0.66 CHRM2 (0.55) KMT2AAPP
SCHEMBL632217 0.66 CHRM2 (0.55) KMT2AAPP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445368-B1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS INC (US) 2024-07-17 EP disclosed